Identification of Atomic-Level Mechanisms for Gas-Phase X– + CH3Y SN2 Reactions by Combined Experiments and Simulations

2014 ◽  
Vol 47 (10) ◽  
pp. 2960-2969 ◽  
Author(s):  
Jing Xie ◽  
Rico Otto ◽  
Jochen Mikosch ◽  
Jiaxu Zhang ◽  
Roland Wester ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atomic Level ◽  
Sn2 Reactions

scholarly journals Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y-+ CH3X → CH3Y + X-(X,Y = F,Cl,Br). Validation of Hybrid DFT Methods

2001 ◽  
Vol 105 (5) ◽  
pp. 895-904 ◽  
Author(s):  
Srinivasan Parthiban ◽  
Glênisson de Oliveira ◽  
Jan M. L. Martin
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Dft Methods ◽  
Sn2 Reactions ◽  
Energy Profiles

scholarly journals Ahmed Hassan Zewail. 26 February 1946—2 August 2016

2019 ◽  
Vol 68 ◽  
pp. 431-453
Author(s):  
John Meurig Thomas
Keyword(s):  
Electron Microscopy ◽  
Gas Phase ◽  
Ultrafast Lasers ◽  
Atomic Level ◽  
Women In Science ◽  
President Obama ◽  
Structure And Dynamics ◽  
Transmission Electron ◽  
The Individual ◽  
Gas Phase Electron Diffraction

Ahmed Zewail will forever be remembered for three main reasons: first, he was the individual who first demonstrated that the structure and dynamics of atoms in the transition state of chemical reactions could be determined through the judicious use of ultrafast lasers, in a field that he pioneered, for which he coined, called femtochemistry; second, he transformed both gas phase electron diffraction and transmission electron microscopy by improving their temporal resolution some 10 orders of magnitude, while simultaneously retaining the spatial resolution of electron microscopy at the atomic level; and third, he was the first US Science Envoy to the Middle East (appointed by President Obama). To all who knew him, he was a warm-hearted, life-enhancing person endowed with exceptional technical virtuosity as an experimentalist and a profound thinker, whose prodigality of output was also exceptional. He exhibited remarkable skills as an enterprising fundraiser in his determination to establish the Zewail City of Science and Technology on the outskirts of his beloved Cairo. He also influenced greatly the L'Oréal–UNESCO scheme for awarding prizes to women in science.

Photoinitiation of Gas-Phase SN2 Reactions through the Evans−Polanyi Excited State Surface

1997 ◽  
Vol 119 (21) ◽  
pp. 5067-5068 ◽  
Author(s):  
Caroline E. H. Dessent ◽  
Mark A. Johnson
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Sn2 Reactions

Gas-phase SN2 reactions at silicon and carbon centers. An experimental appraisal of theory

1976 ◽  
Vol 98 (4) ◽  
pp. 894-899 ◽  
Author(s):  
J. D. Payzant ◽  
K. Tanaka ◽  
L. D. Betowski ◽  
D. K. Bohme
Keyword(s):  
Gas Phase ◽  
Carbon Centers ◽  
Sn2 Reactions

Charge Distributions of Gas-phase SN2 Reactions: ABEEM-σπ Method Compared with Potential Acting on an Electron in a Molecule

2015 ◽  
Vol 44 (8) ◽  
pp. 1074-1076 ◽  
Author(s):  
Yanli Ding ◽  
Xiaojing Han ◽  
Changliang Sun ◽  
Jirong Mu
Keyword(s):  
Gas Phase ◽  
Sn2 Reactions ◽  
Charge Distributions

Intrinsic Structure-Reactivity Relationships in Gas-Phase SN2 Reactions: Identity Exchange of Substituted Benzyl Chlorides with Chloride Ion

1994 ◽  
Vol 116 (6) ◽  
pp. 2471-2480 ◽  
Author(s):  
Brian D. Wladkowski ◽  
James L. Wilbur ◽  
John I. Brauman
Keyword(s):  
Gas Phase ◽  
Chloride Ion ◽  
Intrinsic Structure ◽  
Sn2 Reactions ◽  
Benzyl Chlorides

Charge development at the transition state: a second-order Moeller-Plesset perturbation study of gas-phase SN2 reactions

1991 ◽  
Vol 113 (4) ◽  
pp. 1072-1076 ◽  
Author(s):  
Zheng Shi ◽  
Russell J. Boyd
Keyword(s):  
Transition State ◽  
Gas Phase ◽  
Second Order ◽  
Sn2 Reactions

Microsolvation effects on the reactivity of oxy-nucleophiles: the case of gas-phase SN2 reactions of YO−(CH3OH) n=1,2 towards CH3Cl

2017 ◽  
Vol 23 (6) ◽  
Author(s):  
Liu Yun-Yun ◽  
Qiu Fang-Zhou ◽  
Zhu Jun ◽  
Ren Yi ◽  
Lau Kai-Chung
Keyword(s):  
Gas Phase ◽  
Sn2 Reactions

Hot Gas Phase Reactions of Cl-, Br-, I- Beams with CH4 and CH3F: Endothermic SN2 Reactions?

1990 ◽  
Vol 50 (1-2) ◽  
Author(s):  
G. Zellermann ◽  
E. Vietzke
Keyword(s):  
Gas Phase ◽  
Gas Phase Reactions ◽  
Sn2 Reactions ◽  
Hot Gas
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